3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide

C11H17N7O — CID 66283592

IUPAC3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H17N7O/c1-3-17(6-7(2)10(12)13)9-5-4-8-14-15-11(19)18(8)16-9/h4-5,7H,3,6H2,1-2H3,(H3,12,13)(H,15,19)
InChIKeyUTCFYIDWTMWNDO-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.18
Rot. Bonds5

About 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide

3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide (PubChem CID 66283592) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide
PubChem CID66283592
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H17N7O/c1-3-17(6-7(2)10(12)13)9-5-4-8-14-15-11(19)18(8)16-9/h4-5,7H,3,6H2,1-2H3,(H3,12,13)(H,15,19)
InChIKeyUTCFYIDWTMWNDO-UHFFFAOYSA-N
XLogP-0.18
TPSA116.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide (CID 66283592) is 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide?
The InChIKey is UTCFYIDWTMWNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-17(6-7(2)10(12)13)9-5-4-8-14-15-11(19)18(8)16-9/h4-5,7H,3,6H2,1-2H3,(H3,12,13)(H,15,19).
What are the key properties of 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide?
3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide has a molecular weight of 263.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 66283592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).